SCHEMBL27763517

SCHEMBL27763517

Cc1ccc(-c2nc3c(C(=O)Nc4ccc(Br)cc4)cccc3[nH]2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.45
PARP1 P09874 1/20 0.45
ALDH1A1 P00352 7/20 0.45
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
MAPT P10636 7/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 4/20 0.45
HSD17B10 Q99714 2/20 0.45
HPSE Q9Y251 4/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
MEN1 O00255 3/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27763531 0.92 ALDH1A1 (0.52) DHODHPARP1ALDH1A1NPC1RAB9A
SCHEMBL27742882 0.90 DHODH (0.48) DHODHPARP1ALDH1A1NPC1RAB9A
SCHEMBL27763530 0.90 PARP1 (0.47) DHODHPARP1ALDH1A1NPC1RAB9A
SCHEMBL27742923 0.90 POLB (0.47) DHODHPARP1ALDH1A1NPC1RAB9A
SCHEMBL27763508 0.88 MMP2 (0.44) DHODHPARP1ALDH1A1NPC1RAB9A
SCHEMBL27763513 0.88 MMP2 (0.43) DHODHPARP1ALDH1A1NPC1RAB9A
SCHEMBL27742892 0.88 MMP2 (0.43) DHODHPARP1ALDH1A1NPC1RAB9A
SCHEMBL27763510 0.86 PARP1 (0.51) DHODHPARP1ALDH1A1NPC1RAB9A
SCHEMBL27763504 0.85 NPC1 (0.50) DHODHPARP1ALDH1A1NPC1RAB9A
SCHEMBL27742880 0.84 DHODH (0.46) DHODHPARP1ALDH1A1MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101434601-A 2-furyl-1H-benzimidazole-4-acidamide type derivative UNIV SHANGHAI JIAOTONG (CN) 2009-05-20 CN disclosed